Vitas-M small molecule compound
(2'R,3S,3aR,4aR,8aR,9aR)-3-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL540191
SMILES O=C1O[C@H]2[C@@H](C1CNCCC1=CCCCC1)C[C@@H]1[C@](C2)(C)CCC[C@]21OC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H35NO3 MW 373.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35NO3/c1-22-9-5-10-23(15-26-23)20(22)12-17-18(21(25)27-19(17)13-22)14-24-11-8-16-6-3-2-4-7-16/h6,17-20,24H,2-5,7-15H2,1H3/t17-,18?,19-,20-,22-,23+/m1/s1InChIKey
FFEKTSIHIGFZST-OJCVUHJJSA-NSynonyms
956623-30-6(2R3S3aR4aR8aR9aR)3(((2(cyclohex1en1yl)ethyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)4~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((2(cyclohexen1yl)ethylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16401376
956623306
InChI=1SC23H35NO3c122951023(152623)20(22)121718(21(25)2719(17)1322)1424118166324716h6172024H25715H21H3t1718?19202223+m1s1
O=C1O(C@H)2(C@@H)(C1CNCCC1=CCCCC1)C(C@@H)1(C@)(C2)(C)CCC(C@)21OC2
ZINC000004074118
ZINC000012869273
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